(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

C16H22N2O7S — CID 55427377

IUPAC(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OC2CC(C)OC2=O)CC1
InChIInChI=1S/C16H22N2O7S/c1-9-8-13(16(20)23-9)24-15(19)12-4-6-18(7-5-12)26(21,22)14-10(2)17-25-11(14)3/h9,12-13H,4-8H2,1-3H3
InChIKeyGNMVNCYFMOXPPA-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.94
Rot. Bonds4

About (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 55427377) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID55427377
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OC2CC(C)OC2=O)CC1
InChIInChI=1S/C16H22N2O7S/c1-9-8-13(16(20)23-9)24-15(19)12-4-6-18(7-5-12)26(21,22)14-10(2)17-25-11(14)3/h9,12-13H,4-8H2,1-3H3
InChIKeyGNMVNCYFMOXPPA-UHFFFAOYSA-N
XLogP0.94
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
(4-fluorophenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 18288018
3-cyanopropyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 43056507
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975076
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 110335350
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 41236492
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate (CID 55427377) is (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OC2CC(C)OC2=O)CC1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is GNMVNCYFMOXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-9-8-13(16(20)23-9)24-15(19)12-4-6-18(7-5-12)26(21,22)14-10(2)17-25-11(14)3/h9,12-13H,4-8H2,1-3H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 55427377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).